Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8
- Core Entity Id
- 66
- Source Entity Count
- 1
- Preferred Name
- 20(s)-dammar-25(26)-ene-3beta,6alpha,12beta,20-tetrol
- Name En
- Pubchem Id
- 71718556
- Smiles Canonical
- CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)O
- Molecular Formula
- C30H52O4
- Molecular Weight
- 476.7420
- Inchikey
- CZGYKNXFDCANHD-YKJFMZFHSA-N
- Inchi
- InChI=1S/C30H52O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1
- Isomeric Smiles
- CC(=C)[C@H](CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.4714
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
20(S)-Dammar-25(26)-ene-3-beta,6-alpha,12-beta,20-tetrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
20(s)-dammar-25(26)-ene-3beta,6alpha,12beta,20-tetrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
20(s)-dammar-25(26)-ene-3beta,6alpha,12beta,20-tetrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
BDBM50423987
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50423987
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2313417
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2313417
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
20(S)-Dammar-25(26)-ene-3-beta,6-alpha,12-beta,20-tetrolBDBM50423987CHEMBL2313417
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003498
Npass
NPC301707
Tcmid
4620
Pub Chem
71718556
Etcm Ingredient
20(S)-Dammar-25(26)-ene-3-beta,6-alpha,12-beta,20-tetrol
Itcmdb Generated
ITX-INGREDIENT-4D067CB5EF8E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H52O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-25,31-34H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1
Mol Wt
476.7420000000002
Mol Log P
5.47140000000001
In Ch Ikey
CZGYKNXFDCANHD-YKJFMZFHSA-N
Num Hdonors
4
Drug Likeness
0.397
Num Hacceptors
4
Isomeric Smiles
CC(=C)[C@H](CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)O
Canonical Smiles
CC(=C)C(CCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)O
Herb Alias Names
CHEMBL2313417BDBM50423987
Molecular Weight
476.390
Molecular Formula
C30H52O4
Molecular Formula
C30H52O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.888
Quantitative Estimate Of Drug Likeness（Qed）
0.397