8,8a-epoxymorellic acid

CHEBI:66402 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An epoxide that is the 8,8a-epoxy derivative of morellic acid. Isolated from Garcinia hanburyi it exhibits cytotoxic and anti-HIV activity.. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:32955
Label unavailable CHEBI:33640
Label unavailable CHEBI:33853
Label unavailable CHEBI:35951
Label unavailable CHEBI:3992
Label unavailable CHEBI:51914
Label unavailable CHEBI:79020

Chemical structure

Computed structure properties
Molecular formula	C33H36O9
Charge	0
Average mass	576.642 Da
Monoisotopic mass	576.23593 Da
Source	ChEBI
InChIKey	DHCUJGJZVIRMQU-ZZBIGSJJSA-N

SMILES

[H][C@]12OC(C)(C)[C@]3(C/C=C(/C)C(=O)O)C[C@]([H])(C1=O)C1OC14C(=O)c1c(O)c5c(c(CC=C(C)C)c1O[C@]432)OC(C)(C)C=C5

InChI

InChI=1S/C33H36O9/c1-15(2)8-9-18-23-17(11-12-29(4,5)39-23)21(34)20-24(18)40-33-27-22(35)19(26-32(33,42-26)25(20)36)14-31(33,30(6,7)41-27)13-10-16(3)28(37)38/h8,10-12,19,26-27,34H,9,13-14H2,1-7H3,(H,37,38)/b16-10-/t19-,26?,27+,31+,32?,33+/m1/s1

Also called

(2Z)-4-[(2S,3aR,6S,6aR)-13-hydroxy-5,5,10,10-tetramethyl-8-(3-methylbut-2-en-1-yl)-3,14-dioxo-1a,2,3,3a-tetrahydro-10H,14H-2,6-methanofuro[3,2-g]oxireno[k]pyrano[3,2-b]xanthen-6(5H)-yl]-2-methylbut-2-enoic acid (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

reaxys:11109913

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

anti-HIV-1 agent CHEBI:64947

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:66402`	8,8a-epoxymorellic acid	`antibioticmech:chebi-06b3872e9c`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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