Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38916
- Core Entity Id
- 68832
- Source Entity Count
- 1
- Preferred Name
- 16-ent-kaurene-13,19-diol
- Name En
- Pubchem Id
- 101353007
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)O)C)CO
- Molecular Formula
- C20H32O2
- Molecular Weight
- 304.4740
- Inchikey
- DMNRMQZQSQMOKH-BGSOWLKRSA-N
- Inchi
- InChI=1S/C20H32O2/c1-14-11-19-9-5-15-17(2,13-21)7-4-8-18(15,3)16(19)6-10-20(14,22)12-19/h15-16,21-22H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19-,20+/m1/s1
- Isomeric Smiles
- C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C)CO
- Cas Id
- Ob Score
- Mol Logp
- 4.0627
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16-ent-Kaurene-13,19-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
16-ent-Kaurene-13,19-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
16-ent-kaurene-13,19-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16-ent-kaurene-13,19-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
木榄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MU LAN(3)
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
木榄MU LAN(3)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001890
Tcmid
12173
Pub Chem
101353007
Tcmbank
TCMBANKIN043660
Etcm Ingredient
16-ent-Kaurene-13,19-diol
Itcmdb Generated
ITX-INGREDIENT-ABD13D81E471
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O2/c1-14-11-19-9-5-15-17(2,13-21)7-4-8-18(15,3)16(19)6-10-20(14,22)12-19/h15-16,21-22H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19-,20+/m1/s1
Mol Wt
304.474
Mol Log P
4.062700000000004
In Ch Ikey
DMNRMQZQSQMOKH-BGSOWLKRSA-N
Tcm Name
木榄
Tcm Name2
MU LAN(3)
Mol2 Path
/TCM_database/2007_3d_all/12177.mol2
Reference
4770
Num Hdonors
2
Drug Likeness
0.717
Num Hacceptors
2
Isomeric Smiles
C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C)CO
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)(C(=C)C4)O)C)CO
Molecular Weight
304.240
Molecular Weight
304.5 g/mol
Molecular Formula
C20H32O2
Molecular Formula
C20H32O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.579
Quantitative Estimate Of Drug Likeness（Qed）
0.717