maniladiol
CHEBI:138945
·resolve ·ANTIMYCOBACTERIAL
·EXACT
SEEDED
A pentacyclic triterpenoid that is olean-12-ene in which the hydrogens at the 3β and 16β positions have been replaced by hydroxy groups. — 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.
Chemical structure
Computed structure properties
| Molecular formula | C30H50O2 |
|---|
| Charge | 0 |
|---|
| Average mass | 442.728 Da |
|---|
| Monoisotopic mass | 442.38108 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | VLRYIIPJIVGFIV-QQSFYHFXSA-N |
|---|
SMILES
[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C)[C@@H](O)C[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChI
InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1
Also called
- olean-12-ene-3β,16β-diol (EXACT_SYNONYM)— chebi
- (3beta,16beta)-Olean-12-ene-3,16-diol (EXACT_SYNONYM)— chebi
- (3β,16β)-olean-12-ene-3,16-diol (EXACT_SYNONYM)— chebi
- 16β-hydroxy-β-amyrin (EXACT_SYNONYM)— chebi
- 3beta,16beta-Dihydroxyolean-12-ene (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
- cas:595-17-5
- hmdb:HMDB0034550
- knapsack:C00019525
- metacyc.compound:CPD-16621
- reaxys:3222504
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:138945 |
maniladiol |
antibioticmech:chebi-0149740b25 |
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.