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.

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

Equivalent identifiers for this same structure in other resources.

reaxys:7874294

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: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.