Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18088
- Core Entity Id
- 23281
- Source Entity Count
- 1
- Preferred Name
- Ent-16,18-dihydroxy-8(14)-pimaren-15-one
- Name En
- Pubchem Id
- 5316823
- Smiles Canonical
- CC1(CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C(=O)CO
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.4730
- Inchikey
- UZMHSOXTTHVKPU-UELVWTOYSA-N
- Inchi
- InChI=1S/C20H32O3/c1-18(17(23)12-21)10-7-15-14(11-18)5-6-16-19(2,13-22)8-4-9-20(15,16)3/h11,15-16,21-22H,4-10,12-13H2,1-3H3/t15-,16-,18+,19-,20?/m1/s1
- Isomeric Smiles
- C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3C2(CCC[C@]3(C)CO)C)C(=O)CO
- Cas Id
- Ob Score
- Mol Logp
- 3.4893
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ent-16,18-dihydroxy-8(14)-pimaren-15-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-16,18-dihydroxy-8(14)-pimaren-15-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-16,18-Dihydroxy-8(14)-pimaren-15-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ent-16,18-dihydroxy-8(14)-pimaren-15-one
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025124
Npass
NPC242491
Tcmid
6097
Pub Chem
5316823
Tcmbank
TCMBANKIN007524
Etcm Ingredient
ent-16,18-Dihydroxy-8(14)-pimaren-15-one
Itcmdb Generated
ITX-INGREDIENT-D9D3CFD4C50E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O3/c1-18(17(23)12-21)10-7-15-14(11-18)5-6-16-19(2,13-22)8-4-9-20(15,16)3/h11,15-16,21-22H,4-10,12-13H2,1-3H3/t15-,16-,18+,19-,20?/m1/s1
Mol Wt
320.4730000000001
Smiles
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C(=O)CO
Mol Log P
3.489300000000002
In Ch Ikey
UZMHSOXTTHVKPU-UELVWTOYSA-N
Num Hdonors
2
Drug Likeness
0.783
Num Hacceptors
3
Isomeric Smiles
C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3C2(CCC[C@]3(C)CO)C)C(=O)CO
Canonical Smiles
CC1(CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C(=O)CO
Molecular Weight
320.240
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.509
Quantitative Estimate Of Drug Likeness（Qed）
0.783