multiorthoquinone

CHEBI:66409 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A diterpenoid that is phenanthrene-3,4-dione substituted by a methoxy group at position 6, a methyl groups at positions 7 and 8 and an isopropyl group at position 2. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular 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.

CHEBI:23849 CHEBI:23849
CHEBI:25622 CHEBI:25622
CHEBI:25961 CHEBI:25961
CHEBI:35618 CHEBI:35618

Chemical structure

Computed structure properties
Molecular formula	C20H20O3
Charge	0
Average mass	308.377 Da
Monoisotopic mass	308.14124 Da
Source	ChEBI
InChIKey	YJIHLYMLQOIPEU-UHFFFAOYSA-N

SMILES

COc1cc2c3c(ccc2c(C)c1C)C=C(C(C)C)C(=O)C3=O

InChI

InChI=1S/C20H20O3/c1-10(2)15-8-13-6-7-14-11(3)12(4)17(23-5)9-16(14)18(13)20(22)19(15)21/h6-10H,1-5H3

Also called

6-methoxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione (EXACT_SYNONYM)— chebi
2-methoxy-11,12-dioxoabieta-1,3,5(10),6,8,13-hexaene (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:7876459

Activity roles

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

CHEBI:33231 CHEBI:33231

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:66409`	multiorthoquinone	`antibioticmech:chebi-1eb227bcc4`	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.