multicaulin

CHEBI:66407 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A diterpenoid that is phenanthrene substituted by a methoxy group at position 6, methyl groups at position 1 and 2 and an isopropyl group at position 7. A norabietane derivative, it is isolated from the roots of 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.

Label unavailable CHEBI:23849
Label unavailable CHEBI:25961
Label unavailable CHEBI:35618

Chemical structure

Computed structure properties
Molecular formula	C20H22O
Charge	0
Average mass	278.395 Da
Monoisotopic mass	278.16707 Da
Source	ChEBI
InChIKey	QSZDTCGHFRXGFB-UHFFFAOYSA-N

SMILES

COc1cc2c(ccc3c(C)c(C)ccc32)cc1C(C)C

InChI

InChI=1S/C20H22O/c1-12(2)18-10-15-7-9-16-14(4)13(3)6-8-17(16)19(15)11-20(18)21-5/h6-12H,1-5H3

Also called

6-methoxy-1,2-dimethyl-7-(propan-2-yl)phenanthrene (EXACT_SYNONYM)— chebi
12-methoxy-abieta-1,3,5(10),6,8,11,13-heptaene (EXACT_SYNONYM)— chebi
7,8-dimethyl-2-(propan-2-yl)phenanthren-3-yl methyl ether (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:7874294

Activity roles

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

antitubercular agent 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:66407`	multicaulin	`antibioticmech:chebi-63d2284ab4`	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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