Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67147
- Core Entity Id
- 129796
- Source Entity Count
- 1
- Preferred Name
- 20(S),24(R)-Ocotillol
- Name En
- Pubchem Id
- 15886258
- Smiles Canonical
- CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)O)C)O)C
- Molecular Formula
- C30H52O5
- Molecular Weight
- 492.3800
- Inchikey
- XIGBHUXQOPWGDK-HTGHARJWSA-N
- Inchi
- InChI=1S/C30H52O5/c1-25(2)21(33)10-12-27(5)20-15-18(31)23-17(30(8)14-11-22(35-30)26(3,4)34)9-13-28(23,6)29(20,7)16-19(32)24(25)27/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19-,20+,21-,22+,23-,24-,27+,28+,29+,30-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.6000
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 90.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
20(S),24(R)-Ocotillol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
20(S),24(R)-Ocotillol
Itcmdb Generated
ITX-INGREDIENT-A44C9C08A577
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
492.380
Molecular Formula
C30H52O5
Fda Maximum Daily Dose (Fdamdd)
0.736
Quantitative Estimate Of Drug Likeness（Qed）
0.449