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
- 18083
- Core Entity Id
- 23275
- Source Entity Count
- 1
- Preferred Name
- Ent-15alpha,18-dihydroxy-16-kaurene
- Name En
- Pubchem Id
- 11771152
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4O)C)CO
- Molecular Formula
- C20H32O2
- Molecular Weight
- 304.4740
- Inchikey
- LYIUHFZMUDDFHQ-PDEMJFSWSA-N
- Inchi
- InChI=1S/C20H32O2/c1-13-14-5-6-16-19(3)9-4-8-18(2,12-21)15(19)7-10-20(16,11-14)17(13)22/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15-,16+,17-,18-,19-,20-/m1/s1
- Isomeric Smiles
- C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)C)CO
- Cas Id
- Ob Score
- Mol Logp
- 3.9186
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ent-15alpha,18-dihydroxy-16-kaurene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-15alpha,18-dihydroxy-16-kaurene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-15-alpha,18-Dihydroxy-16-kaurene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
ent-15-alpha,18-Dihydroxy-16-kaurene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025118
Tcmid
5935
Pub Chem
11771152
Etcm Ingredient
ent-15-alpha,18-Dihydroxy-16-kaurene
Itcmdb Generated
ITX-INGREDIENT-9B1895DE2A2B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O2/c1-13-14-5-6-16-19(3)9-4-8-18(2,12-21)15(19)7-10-20(16,11-14)17(13)22/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15-,16+,17-,18-,19-,20-/m1/s1
Mol Wt
304.474
Mol Log P
3.918600000000004
In Ch Ikey
LYIUHFZMUDDFHQ-PDEMJFSWSA-N
Num Hdonors
2
Drug Likeness
0.721
Num Hacceptors
2
Isomeric Smiles
C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)[C@H]4O)C)CO
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4O)C)CO
Molecular Weight
304.240
Molecular Formula
C20H32O2
Molecular Formula
C20H32O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.924
Quantitative Estimate Of Drug Likeness（Qed）
0.721