Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18066
- Core Entity Id
- 23257
- Source Entity Count
- 1
- Preferred Name
- Ent-11alpha,15alpha-dihydroxy-16-kaurene
- Name En
- Pubchem Id
- 101751590
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2C(CC(C3)C(=C)C4O)O)C)C
- Molecular Formula
- C20H32O2
- Molecular Weight
- 304.4740
- Inchikey
- CAFQISIWCGVCME-WQBJWTDHSA-N
- Inchi
- InChI=1S/C20H32O2/c1-12-13-10-14(21)16-19(4)8-5-7-18(2,3)15(19)6-9-20(16,11-13)17(12)22/h13-17,21-22H,1,5-11H2,2-4H3/t13-,14-,15-,16-,17+,19-,20-/m0/s1
- Isomeric Smiles
- C[C@]12CCCC([C@@H]1CC[C@@]34[C@H]2[C@H](C[C@@H](C3)C(=C)[C@H]4O)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9170
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ent-11alpha,15alpha-dihydroxy-16-kaurene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-11alpha,15alpha-dihydroxy-16-kaurene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-11-alpha,15-alpha-Dihydroxy-16-kaurene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
ent-11-alpha,15-alpha-Dihydroxy-16-kaurene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025101
Tcmid
5933
Pub Chem
101751590
Etcm Ingredient
ent-11-alpha,15-alpha-Dihydroxy-16-kaurene
Itcmdb Generated
ITX-INGREDIENT-3E2E2162858D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O2/c1-12-13-10-14(21)16-19(4)8-5-7-18(2,3)15(19)6-9-20(16,11-13)17(12)22/h13-17,21-22H,1,5-11H2,2-4H3/t13-,14-,15-,16-,17+,19-,20-/m0/s1
Mol Wt
304.474
Mol Log P
3.917000000000004
In Ch Ikey
CAFQISIWCGVCME-WQBJWTDHSA-N
Num Hdonors
2
Drug Likeness
0.666
Num Hacceptors
2
Isomeric Smiles
C[C@]12CCCC([C@@H]1CC[C@@]34[C@H]2[C@H](C[C@@H](C3)C(=C)[C@H]4O)O)(C)C
Canonical Smiles
CC1(CCCC2(C1CCC34C2C(CC(C3)C(=C)C4O)O)C)C
Molecular Weight
304.240
Molecular Formula
C20H32O2
Molecular Formula
C20H32O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.991
Quantitative Estimate Of Drug Likeness（Qed）
0.666